2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide

C10H12Cl2N2O3S — CID 114189630

IUPAC2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CNC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O3S/c11-7-1-2-8(12)9(3-7)18(16,17)14-6-10(15)4-13-5-10/h1-3,13-15H,4-6H2
InChIKeyXWCDLZKCXPOPQU-UHFFFAOYSA-N
MW311.19 g/mol
LogP0.61
Rot. Bonds4

About 2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide

2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide (PubChem CID 114189630) has the molecular formula C10H12Cl2N2O3S and a molecular weight of 311.19 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide
PubChem CID114189630
Molecular FormulaC10H12Cl2N2O3S
Molecular Weight311.19 g/mol
Exact Mass309.99
IUPAC Name2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CNC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O3S/c11-7-1-2-8(12)9(3-7)18(16,17)14-6-10(15)4-13-5-10/h1-3,13-15H,4-6H2
InChIKeyXWCDLZKCXPOPQU-UHFFFAOYSA-N
XLogP0.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119958821
2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269295
3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125443896
2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 80704617
2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide
CID 61127500
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
CID 114189535
2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide
CID 107848386
5-chloro-2-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848172
methyl 4-chloro-3-[(1-hydroxycyclobutyl)methylsulfamoyl]benzoate
CID 115754031
5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115078
2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide
CID 66170118

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide (CID 114189630) is 2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CNC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is XWCDLZKCXPOPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3S/c11-7-1-2-8(12)9(3-7)18(16,17)14-6-10(15)4-13-5-10/h1-3,13-15H,4-6H2.
What are the key properties of 2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide?
2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 311.19 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 114189630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).